5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C28H25F2N7O2 — CID 175682853

About 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175682853) has the molecular formula C28H25F2N7O2 and a molecular weight of 529.55 g/mol. Its IUPAC name is 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 175682853
• Molecular Formula: C28H25F2N7O2
• Molecular Weight: 529.55 g/mol
• Exact Mass: 529.20
• IUPAC Name: 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2ncc3cccn3n2)cc1NC(=O)c1cnn2ccc(N3CC4(C3)CC(O)(C(F)F)C4)cc12
• InChI: InChI=1S/C28H25F2N7O2/c1-17-4-5-18(24-31-11-20-3-2-7-36(20)34-24)9-22(17)33-25(38)21-12-32-37-8-6-19(10-23(21)37)35-15-27(16-35)13-28(39,14-27)26(29)30/h2-12,26,39H,13-16H2,1H3,(H,33,38)
• InChIKey: DCHUDMXXPKSSLG-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 100.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.55
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 175682853) is 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2ncc3cccn3n2)cc1NC(=O)c1cnn2ccc(N3CC4(C3)CC(O)(C(F)F)C4)cc12.

What is the InChIKey of 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is DCHUDMXXPKSSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N7O2/c1-17-4-5-18(24-31-11-20-3-2-7-36(20)34-24)9-22(17)33-25(38)21-12-32-37-8-6-19(10-23(21)37)35-15-27(16-35)13-28(39,14-27)26(29)30/h2-12,26,39H,13-16H2,1H3,(H,33,38).

What are the key properties of 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 529.55 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-(2-methyl-5-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175682853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).